2-(5,5-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)-2-methyl-1-methyliodanuidylpropan-1-one

C10H19IO4P- — CID 163412696

IUPAC2-(5,5-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)-2-methyl-1-methyliodanuidylpropan-1-one
SMILESC[I-]C(=O)C(C)(C)P1(=O)OCC(C)(C)CO1
InChIInChI=1S/C10H19IO4P/c1-9(2)6-14-16(13,15-7-9)10(3,4)8(12)11-5/h6-7H2,1-5H3/q-1
InChIKeyXVAMWBFBIIZRLS-UHFFFAOYSA-N
MW361.14 g/mol
LogP-0.72
Rot. Bonds3

About 2-(5,5-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)-2-methyl-1-methyliodanuidylpropan-1-one

2-(5,5-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)-2-methyl-1-methyliodanuidylpropan-1-one (PubChem CID 163412696) has the molecular formula C10H19IO4P- and a molecular weight of 361.14 g/mol. Its IUPAC name is 2-(5,5-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)-2-methyl-1-methyliodanuidylpropan-1-one.

Molecular Properties

Compound Name2-(5,5-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)-2-methyl-1-methyliodanuidylpropan-1-one
PubChem CID163412696
Molecular FormulaC10H19IO4P-
Molecular Weight361.14 g/mol
Exact Mass361.01
IUPAC Name2-(5,5-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)-2-methyl-1-methyliodanuidylpropan-1-one
SMILESC[I-]C(=O)C(C)(C)P1(=O)OCC(C)(C)CO1
InChIInChI=1S/C10H19IO4P/c1-9(2)6-14-16(13,15-7-9)10(3,4)8(12)11-5/h6-7H2,1-5H3/q-1
InChIKeyXVAMWBFBIIZRLS-UHFFFAOYSA-N
XLogP-0.72
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.14
LogP ≤ 5-0.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze 2-(5,5-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)-2-methyl-1-methyliodanuidylpropan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(5,5-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)-2-methyl-1-methyliodanuidylpropan-1-one?
The IUPAC name of 2-(5,5-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)-2-methyl-1-methyliodanuidylpropan-1-one (CID 163412696) is 2-(5,5-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)-2-methyl-1-methyliodanuidylpropan-1-one.
What is the SMILES notation for 2-(5,5-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)-2-methyl-1-methyliodanuidylpropan-1-one?
The canonical SMILES for 2-(5,5-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)-2-methyl-1-methyliodanuidylpropan-1-one is C[I-]C(=O)C(C)(C)P1(=O)OCC(C)(C)CO1.
What is the InChIKey of 2-(5,5-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)-2-methyl-1-methyliodanuidylpropan-1-one?
The InChIKey is XVAMWBFBIIZRLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19IO4P/c1-9(2)6-14-16(13,15-7-9)10(3,4)8(12)11-5/h6-7H2,1-5H3/q-1.
What are the key properties of 2-(5,5-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)-2-methyl-1-methyliodanuidylpropan-1-one?
2-(5,5-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)-2-methyl-1-methyliodanuidylpropan-1-one has a molecular weight of 361.14 g/mol, XLogP of -0.72, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,5-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)-2-methyl-1-methyliodanuidylpropan-1-one is sourced from PubChem (CID 163412696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).